2-[3-[2-bromo-6-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-ol

C12H11BrF2N2O3 — CID 167941152

IUPAC2-[3-[2-bromo-6-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1nc(-c2c(Br)cccc2OC(F)F)no1
InChIInChI=1S/C12H11BrF2N2O3/c1-12(2,18)10-16-9(17-20-10)8-6(13)4-3-5-7(8)19-11(14)15/h3-5,11,18H,1-2H3
InChIKeyXSECHOYTNMEDKM-UHFFFAOYSA-N
MW349.13 g/mol
LogP3.33
Rot. Bonds4

About 2-[3-[2-bromo-6-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-ol

2-[3-[2-bromo-6-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 167941152) has the molecular formula C12H11BrF2N2O3 and a molecular weight of 349.13 g/mol. Its IUPAC name is 2-[3-[2-bromo-6-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[2-bromo-6-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID167941152
Molecular FormulaC12H11BrF2N2O3
Molecular Weight349.13 g/mol
Exact Mass347.99
IUPAC Name2-[3-[2-bromo-6-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1nc(-c2c(Br)cccc2OC(F)F)no1
InChIInChI=1S/C12H11BrF2N2O3/c1-12(2,18)10-16-9(17-20-10)8-6(13)4-3-5-7(8)19-11(14)15/h3-5,11,18H,1-2H3
InChIKeyXSECHOYTNMEDKM-UHFFFAOYSA-N
XLogP3.33
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.13
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[2-bromo-6-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-ol with MolForge

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Related Compounds

2-[2-bromo-6-(difluoromethoxy)phenyl]-1H-benzimidazole
CID 168555283
2-[3-[3-[(1R)-1-aminoethyl]phenyl]-1,2,4-oxadiazol-5-yl]propan-2-ol;hydrochloride
CID 70496410
1-bromo-3-[2-(difluoromethoxy)phenyl]-2-fluorobenzene
CID 175713970
ethyl (3S)-3-amino-3-[2-bromo-6-(difluoromethoxy)phenyl]butanoate
CID 171806212
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 79798669
1-[2-bromo-3-(difluoromethoxy)phenyl]-1-chloropropan-2-one
CID 131314451
2-bromo-7-(difluoromethoxy)-1,3-benzoxazole
CID 118996479
2-bromo-6-(difluoromethoxy)benzaldehyde
CID 118141947
2-[3-(7-fluoro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 67887028
1-(4-bromophenyl)-N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 78815340
1,3-bis(difluoromethoxy)-2-methylbenzene;ethane
CID 145191188
2-[2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-6-hydroxyphenyl]benzene-1,3-diol
CID 11795537

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-bromo-6-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[3-[2-bromo-6-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 167941152) is 2-[3-[2-bromo-6-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[2-bromo-6-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[3-[2-bromo-6-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-ol is CC(C)(O)c1nc(-c2c(Br)cccc2OC(F)F)no1.
What is the InChIKey of 2-[3-[2-bromo-6-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is XSECHOYTNMEDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF2N2O3/c1-12(2,18)10-16-9(17-20-10)8-6(13)4-3-5-7(8)19-11(14)15/h3-5,11,18H,1-2H3.
What are the key properties of 2-[3-[2-bromo-6-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
2-[3-[2-bromo-6-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 349.13 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-bromo-6-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 167941152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).